SCHEMBL14824733

SCHEMBL14824733

CCn1c(=O)c(-c2ccc(Br)cc2N)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 3/20 0.71
▸ PKN1 Q16512 3/20 0.71
▸ PAK4 O96013 2/20 0.71
▸ WEE1 P30291 1/20 0.68
▸ PAK3 O75914 2/20 0.63
▸ PAK2 Q13177 2/20 0.63
▸ CDK4 P11802 8/20 0.61
▸ CCND1 P24385 8/20 0.61
▸ CCND2 P30279 7/20 0.61
▸ CCND3 P30281 7/20 0.61
▸ FGFR1 P11362 3/20 0.53
▸ FGFR2 P21802 2/20 0.53
▸ FGFR4 P22455 2/20 0.53
▸ FGFR3 P22607 2/20 0.53
▸ SRC P12931 1/20 0.53
▸ TNK2 Q07912 1/20 0.50
▸ EGFR P00533 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ FLT3 P36888 2/20 0.48
▸ CDK1 P06493 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1680969 0.90 PAK1 (0.85) PAK1PKN1PAK4WEE1PAK3
SCHEMBL13553998 0.88 WEE1 (0.72) PAK1PKN1PAK4WEE1PAK3
SCHEMBL14824607 0.85 PAK1 (0.70) PAK1PKN1PAK4WEE1PAK3
SCHEMBL659714 0.84 CDK4 (0.72) PAK1PKN1PAK4WEE1PAK3
SCHEMBL10192790 0.83 WEE1 (0.77) PAK1PKN1PAK4WEE1PAK3
SCHEMBL6808498 0.82 CDK4 (0.74) PAK1PKN1PAK4WEE1PAK3
SCHEMBL15030375 0.81 WEE1 (0.71) PAK1PKN1PAK4WEE1PAK3
SCHEMBL15036162 0.81 PAK1 (0.69) PAK1PKN1PAK4WEE1PAK3
SCHEMBL13553528 0.81 PAK1 (0.69) PAK1PKN1PAK4WEE1PAK3
SCHEMBL15035991 0.81 PAK1 (0.69) PAK1PKN1PAK4WEE1PAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 — — WO disclosed
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